CID 10450920

Dihydroxanthohumol

Structural Information

Molecular Formula
C21H24O5
SMILES
CC(=CCC1=C(C(=C(C=C1O)OC)C(=O)CCC2=CC=C(C=C2)O)O)C
InChI
InChI=1S/C21H24O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-6,8-9,12,22,24-25H,7,10-11H2,1-3H3
InChIKey
SVTCZHIDEDUTBH-UHFFFAOYSA-N
Compound name
1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

45
Patents

356.16238 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.16966 184.8
[M+Na]+ 379.15160 191.1
[M-H]- 355.15510 187.8
[M+NH4]+ 374.19620 195.9
[M+K]+ 395.12554 186.5
[M+H-H2O]+ 339.15964 177.3
[M+HCOO]- 401.16058 201.6
[M+CH3COO]- 415.17623 211.8
[M+Na-2H]- 377.13705 182.0
[M]+ 356.16183 187.3
[M]- 356.16293 187.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe